dorzolamide   

GtoPdb Ligand ID: 6810

Synonyms: Trusopt®
dorzolamide is an approved drug (FDA (1994))
Compound class: Synthetic organic
Comment: Marketed formulations may contain dorzolamide hydrochloride (PubChem CID 6918132).
IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: dorzolamide

2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 151.33
Molecular weight 324.03
XLogP -0.74
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CCNC1CC(C)S(=O)(=O)c2c1cc(s2)S(=O)(=O)N
Isomeric SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2c1cc(s2)S(=O)(=O)N
InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1
InChI Key IAVUPMFITXYVAF-XPUUQOCRSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1994))
IUPAC Name
4-ethylamino-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[5,4-b]thiopyran-2-sulfonamide
International Nonproprietary Names
INN number INN
6960 dorzolamide
Synonyms
Trusopt®
Database Links
CAS Registry No. 120279-95-0
ChEMBL Ligand CHEMBL218490
DrugBank Ligand DB00869
DrugCentral Ligand 949
GtoPdb PubChem SID 178103416
PubChem CID 5284549
RCSB PDB Ligand ETS
Search Google for chemical match using the InChIKey IAVUPMFITXYVAF-XPUUQOCRSA-N
Search Google for chemicals with the same backbone IAVUPMFITXYVAF
Search PubMed clinical trials dorzolamide
Search PubMed titles dorzolamide
Search PubMed titles/abstracts dorzolamide
Search UniChem for chemical match using the InChIKey IAVUPMFITXYVAF-XPUUQOCRSA-N
Search UniChem for chemicals with the same backbone IAVUPMFITXYVAF
Wikipedia Dorzolamide